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Home > Boronic Acids > 958261-51-3
958261-51-3 | 9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS No: 958261-51-3 Catalog No: AG0039WQ MDL No:MFCD16621134
Product Description
Catalog Number:
AG0039WQ
Chemical Name:
9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CAS Number:
958261-51-3
Molecular Formula:
C41H65B2NO4
Molecular Weight:
657.5811
MDL Number:
MFCD16621134
IUPAC Name:
9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
InChI:
InChI=1S/C41H65B2NO4/c1-11-13-15-17-19-21-23-33(24-22-20-18-16-14-12-2)44-36-29-31(42-45-38(3,4)39(5,6)46-42)25-27-34(36)35-28-26-32(30-37(35)44)43-47-40(7,8)41(9,10)48-43/h25-30,33H,11-24H2,1-10H3
InChI Key:
XMKFCPVHTTWWCK-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(n1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)CCCCCCCC
Properties
Complexity:
895
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
657.51g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
657.594g/mol
Monoisotopic Mass:
657.51g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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